相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Self-Enhanced Catalytic Activities of Functionalized Graphene Sheets in the Combustion of Nitromethane: Molecular Dynamic Simulations by Molecular Reactive Force Field
Chaoyang Zhang et al.
ACS APPLIED MATERIALS & INTERFACES (2014)
Carbyne from First Principles: Chain of C Atoms, a Nanorod or a Nanorope
Mingjie Liu et al.
ACS NANO (2013)
Comparison of thermal and catalytic cracking of 1-heptene from ReaxFF reactive molecular dynamics simulations
Fidel Castro-Marcano et al.
COMBUSTION AND FLAME (2013)
Polycyclic aromatic hydrocarbons (PAH), soot and light gases formed in the pyrolysis of acetylene at different temperatures: Effect of fuel concentration
Nazly E. Sanchez et al.
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS (2013)
A Reactive Molecular Dynamics Study of n-Heptane Pyrolysis at High Temperature
Junxia Ding et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2013)
Importance of Fundamental sp, sp2, and sp3 Hydrocarbon Radicals in the Growth of Polycyclic Aromatic Hydrocarbons
Bikau Shukla et al.
ANALYTICAL CHEMISTRY (2012)
Combustion of an Illinois No. 6 coal char simulated using an atomistic char representation and the ReaxFF reactive force field
Fidel Castro-Marcano et al.
COMBUSTION AND FLAME (2012)
Formation of PAH and soot during acetylene pyrolysis at different gas residence times and reaction temperatures
N. E. Sanchez et al.
ENERGY (2012)
Anisotropic shock sensitivity for β-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine energetic material under compressive-shear loading from ReaxFF-lg reactive dynamics simulations
Tingting Zhou et al.
JOURNAL OF APPLIED PHYSICS (2012)
Effects of Fuel Additives on the Thermal Cracking of n-Decane from Reactive Molecular Dynamics
Quan-De Wang et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2012)
ReaxFF Molecular Dynamics Simulations of Oxidation of Toluene at High Temperatures
Xue-Min Cheng et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2012)
Parallel reactive molecular dynamics: Numerical methods and algorithmic techniques
H. M. Aktulga et al.
PARALLEL COMPUTING (2012)
Enhancing the catalytic performance of Pt/C catalysts using steam-etched carbon blacks as a catalyst support
Mei-xian Wang et al.
CARBON (2011)
Thermal rate constants of the pyrolysis of n-Heptane
Junxia Ding et al.
COMBUSTION AND FLAME (2011)
Reactive molecular dynamics simulation and chemical kinetic modeling of pyrolysis and combustion of n-dodecane
Quan-De Wang et al.
COMBUSTION AND FLAME (2011)
Thermal Decomposition of Condensed-Phase Nitromethane from Molecular Dynamics from ReaxFF Reactive Dynamics
Si-ping Han et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2011)
Template Effect in the Competition between Haeckelite and Graphene Growth on Ni(111): Quantum Chemical Molecular Dynamics Simulations
Ying Wang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
Physical mechanism of anisotropic sensitivity in pentaerythritol tetranitrate from compressive-shear reaction dynamics simulations
Sergey V. Zybin et al.
APPLIED PHYSICS LETTERS (2010)
Catalytic characteristics of carbon black for decomposition of ethane
Sang Yup Lee et al.
CARBON (2010)
The chemistry of graphene oxide
Daniel R. Dreyer et al.
CHEMICAL SOCIETY REVIEWS (2010)
Synthesis of polyynes to model the sp-carbon allotrope carbyne
Wesley A. Chalifoux et al.
NATURE CHEMISTRY (2010)
Structural evolution during the reduction of chemically derived graphene oxide
Akbar Bagri et al.
NATURE CHEMISTRY (2010)
ReaxFF-molecular dynamics simulations of non-oxidative and non-catalyzed thermal decomposition of methane at high temperatures
Norbert Lummen
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)
Functionalized Graphene Sheet Colloids for Enhanced Fuel/Propellant Combustion
Justin L. Sabourin et al.
ACS NANO (2009)
Highly Hydrophobic Carbon Black Obtained by Covalent Linkage of Perfluorocarbon and Perfluoropolyether Chains on the Carbon Surface
Maurizio Sansotera et al.
CHEMISTRY OF MATERIALS (2009)
Molecular Dynamics Simulation of the Low-Temperature Partial Oxidation of CH4
Alister J. Page et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
Detailed chemical kinetic modeling of pyrolysis of ethylene, acetylene, and propylene at 1073-1373 K with a plug-flow reactor model
Koyo Norinaga et al.
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS (2008)
ReaxFF reactive force field for molecular dynamics simulations of hydrocarbon oxidation
Kimberly Chenoweth et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
Surface-modified carbon nanotubes catalyze oxidative dehydrogenation of n-butane
Jian Zhang et al.
SCIENCE (2008)
Dynamic transition in the structure of an energetic crystal during chemical reactions at shock front prior to detonation
Ken-ichi Nomura et al.
PHYSICAL REVIEW LETTERS (2007)
Synthesis of graphene-based nanosheets via chemical reduction of exfoliated graphite oxide
Sasha Stankovich et al.
CARBON (2007)
Analysis of gas phase compounds in chemical vapor deposition of carbon from light hydrocarbons
Koyo Norinaga et al.
CARBON (2006)
Graphene-based composite materials
Sasha Stankovich et al.
NATURE (2006)
Physics of carbon nanotube electronic devices
MP Anantram et al.
REPORTS ON PROGRESS IN PHYSICS (2006)
Nanoscale investigation of the structural and chemical changes induced by oxidation on carbon black surfaces:: A scanning probe microscopy approach
JI Paredes et al.
JOURNAL OF COLLOID AND INTERFACE SCIENCE (2005)
Oligomerization and cyclization reactions of acetylene
XJ Xu et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)
Shock waves in high-energy materials: The initial chemical events in nitramine RDX
A Strachan et al.
PHYSICAL REVIEW LETTERS (2003)
Cluster-beam deposition and in situ characterization of carbyne-rich carbon films -: art. no. 285506
L Ravagnan et al.
PHYSICAL REVIEW LETTERS (2002)
Electrical properties of polyethylene and carbon black particle blends prepared by gelation/crystallization from solution
Y Bin et al.
CARBON (2002)
Reaction mechanism of soot formation in flames
M Frenklach
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2002)
ReaxFF: A reactive force field for hydrocarbons
ACT van Duin et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2001)
分享论文
